Chemical Compound

1025216-57-2

CAS Registry Number 1025216-57-2
1025216-57-2 chemical structure
Primary Record

1025216-57-2

In stock
1,264 g
Purity
98.4 %
CAS
1025216-57-2

Compound Identifiers & Properties

CAS
1025216-57-2
PubChem CID
145705995
SMILES
CCCC[C@@]1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(C1O)C3=CC(=CC=C3)NC(=O)NC4C(C(C(C(O4)COS(=O)(=O)O)O)OCC5=CC=CC=C5)O)CC
Canonical SMILES
CCCC[C@]1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2cccc(NC(=O)NC3OC(COS(=O)(=O)O)C(O)C(OCc4ccccc4)C3O)c2)C1O

Names & Synonyms

  • 1025216-57-2
  • N-(3-O-benzyl-6-O-sulfo-beta-D-glucopyranosyl)-N'-{3-[(3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda6-benzothiepin-5-yl]phenyl}urea